CID 3066904

2-benzyl-n,n,1-trimethylcyclopentylamine hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CC1(CCCC1CC2=CC=CC=C2)N(C)C
InChI
InChI=1S/C15H23N/c1-15(16(2)3)11-7-10-14(15)12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKey
WERIHEPXISZRTJ-UHFFFAOYSA-N
Compound name
2-benzyl-N,N,1-trimethylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 152.5
[M+Na]+ 240.17226 157.8
[M-H]- 216.17576 160.1
[M+NH4]+ 235.21686 175.1
[M+K]+ 256.14620 155.7
[M+H-H2O]+ 200.18030 145.9
[M+HCOO]- 262.18124 176.1
[M+CH3COO]- 276.19689 194.7
[M+Na-2H]- 238.15771 155.5
[M]+ 217.18249 151.0
[M]- 217.18359 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe